2-(5-phenyltetrazol-2-yl)-N-[2-(trifluoromethyl)phenyl]acetamide

C16H12F3N5O — CID 16508183

IUPAC2-(5-phenyltetrazol-2-yl)-N-[2-(trifluoromethyl)phenyl]acetamide
SMILESO=C(Cn1nnc(-c2ccccc2)n1)Nc1ccccc1C(F)(F)F
InChIInChI=1S/C16H12F3N5O/c17-16(18,19)12-8-4-5-9-13(12)20-14(25)10-24-22-15(21-23-24)11-6-2-1-3-7-11/h1-9H,10H2,(H,20,25)
InChIKeyMXWDXPHXFBSRAR-UHFFFAOYSA-N
MW347.30 g/mol
LogP3.00
Rot. Bonds4

About 2-(5-phenyltetrazol-2-yl)-N-[2-(trifluoromethyl)phenyl]acetamide

2-(5-phenyltetrazol-2-yl)-N-[2-(trifluoromethyl)phenyl]acetamide (PubChem CID 16508183) has the molecular formula C16H12F3N5O and a molecular weight of 347.30 g/mol. Its IUPAC name is 2-(5-phenyltetrazol-2-yl)-N-[2-(trifluoromethyl)phenyl]acetamide.

Molecular Properties

Compound Name2-(5-phenyltetrazol-2-yl)-N-[2-(trifluoromethyl)phenyl]acetamide
PubChem CID16508183
Molecular FormulaC16H12F3N5O
Molecular Weight347.30 g/mol
Exact Mass347.10
IUPAC Name2-(5-phenyltetrazol-2-yl)-N-[2-(trifluoromethyl)phenyl]acetamide
SMILESO=C(Cn1nnc(-c2ccccc2)n1)Nc1ccccc1C(F)(F)F
InChIInChI=1S/C16H12F3N5O/c17-16(18,19)12-8-4-5-9-13(12)20-14(25)10-24-22-15(21-23-24)11-6-2-1-3-7-11/h1-9H,10H2,(H,20,25)
InChIKeyMXWDXPHXFBSRAR-UHFFFAOYSA-N
XLogP3.00
TPSA72.70 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500347.30
LogP ≤ 53.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-[5-(4-methylphenyl)tetrazol-2-yl]-N-[2-(trifluoromethyl)phenyl]acetamide
CID 1169430
N-[4-chloro-2-(trifluoromethyl)phenyl]-2-(5-phenyltetrazol-2-yl)acetamide
CID 16508170
1-[(5-phenyltetrazol-2-yl)methyl]-N-[2-(trifluoromethyl)phenyl]pyrazole-3-carboxamide
CID 19268917
N-(2-phenylphenyl)-2-(5-pyridin-4-yltetrazol-2-yl)acetamide
CID 3738322
2-(5-phenyltetrazol-2-yl)-N-(2,4,5-trichlorophenyl)acetamide
CID 2491710
N-[2-(2-oxopyrrolidin-1-yl)phenyl]-2-(5-phenyltetrazol-2-yl)acetamide
CID 24564897
N-[2-chloro-6-(trifluoromethyl)phenyl]-2-[5-(4-fluorophenyl)tetrazol-2-yl]acetamide
CID 7465951
N-(2,6-diethylphenyl)-2-(5-phenyltetrazol-2-yl)acetamide
CID 16508168
N-(2-ethylphenyl)-2-(5-pyridin-4-yltetrazol-2-yl)acetamide
CID 5301595
2-(5-phenyltetrazol-2-yl)-N-[[2-(trifluoromethoxy)phenyl]methyl]acetamide
CID 51284749
2-(4-aminotriazol-2-yl)-N-[2-(trifluoromethyl)phenyl]acetamide
CID 112520689
N-(4-tert-butylphenyl)-2-(5-phenyltetrazol-2-yl)acetamide
CID 16508157

Frequently Asked Questions

What is the IUPAC name of 2-(5-phenyltetrazol-2-yl)-N-[2-(trifluoromethyl)phenyl]acetamide?
The IUPAC name of 2-(5-phenyltetrazol-2-yl)-N-[2-(trifluoromethyl)phenyl]acetamide (CID 16508183) is 2-(5-phenyltetrazol-2-yl)-N-[2-(trifluoromethyl)phenyl]acetamide.
What is the SMILES notation for 2-(5-phenyltetrazol-2-yl)-N-[2-(trifluoromethyl)phenyl]acetamide?
The canonical SMILES for 2-(5-phenyltetrazol-2-yl)-N-[2-(trifluoromethyl)phenyl]acetamide is O=C(Cn1nnc(-c2ccccc2)n1)Nc1ccccc1C(F)(F)F.
What is the InChIKey of 2-(5-phenyltetrazol-2-yl)-N-[2-(trifluoromethyl)phenyl]acetamide?
The InChIKey is MXWDXPHXFBSRAR-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H12F3N5O/c17-16(18,19)12-8-4-5-9-13(12)20-14(25)10-24-22-15(21-23-24)11-6-2-1-3-7-11/h1-9H,10H2,(H,20,25).
What are the key properties of 2-(5-phenyltetrazol-2-yl)-N-[2-(trifluoromethyl)phenyl]acetamide?
2-(5-phenyltetrazol-2-yl)-N-[2-(trifluoromethyl)phenyl]acetamide has a molecular weight of 347.30 g/mol, XLogP of 3.00, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(5-phenyltetrazol-2-yl)-N-[2-(trifluoromethyl)phenyl]acetamide is sourced from PubChem (CID 16508183), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).